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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4O2S
Molecular Weight 240.282
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-METHYLTHIOCAFFEINE

SMILES

CSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=BWSVUTTVMCSWHS-UHFFFAOYSA-N
InChI=1S/C9H12N4O2S/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3

HIDE SMILES / InChI

Molecular Formula C9H12N4O2S
Molecular Weight 240.282
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:01:17 GMT 2023
Edited
by admin
on Fri Dec 15 19:01:17 GMT 2023
Record UNII
16OKE808X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-METHYLTHIOCAFFEINE
Systematic Name English
METHYLTHIOCAFFEINE, 8-
Systematic Name English
NSC-8807
Code English
Code System Code Type Description
EPA CompTox
DTXSID50212035
Created by admin on Fri Dec 15 19:01:17 GMT 2023 , Edited by admin on Fri Dec 15 19:01:17 GMT 2023
PRIMARY
PUBCHEM
94929
Created by admin on Fri Dec 15 19:01:17 GMT 2023 , Edited by admin on Fri Dec 15 19:01:17 GMT 2023
PRIMARY
NSC
8807
Created by admin on Fri Dec 15 19:01:17 GMT 2023 , Edited by admin on Fri Dec 15 19:01:17 GMT 2023
PRIMARY
CAS
6287-54-3
Created by admin on Fri Dec 15 19:01:17 GMT 2023 , Edited by admin on Fri Dec 15 19:01:17 GMT 2023
PRIMARY
FDA UNII
16OKE808X6
Created by admin on Fri Dec 15 19:01:17 GMT 2023 , Edited by admin on Fri Dec 15 19:01:17 GMT 2023
PRIMARY